[4-[(E)-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]iminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]iminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]iminomethyl]phenyl] ester IUPAC Name: [4-[(E)-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]iminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]iminomethyl]phenyl] ester Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)N=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)/N=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O3S/c1-22-8-14-25(15-9-22)29-20-30(33(32-29)26-6-4-3-5-7-26)31-21-24-12-16-27(17-13-24)36-37(34,35)28-18-10-23(2)11-19-28/h3-21H,1-2H3/b31-21+